#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkl s SER 2 N 0.00 5.13 0.06 1.61 0.01 -1.26 -5.09 113.70 114.17 2dkl s SER 2 Ca 0.00 -0.08 -0.16 0.00 1.31 0.00 0.00 55.95 57.03 2dkl s SER 2 Cb 0.00 -1.87 0.03 0.00 0.21 0.00 0.00 66.02 64.39 2dkl s SER 2 CO 0.00 0.13 0.36 -0.44 0.41 0.00 0.00 173.24 173.70 2dkl s SER 3 N 0.61 -0.20 0.00 2.44 0.01 -1.26 -4.99 113.70 110.31 2dkl s SER 3 Ca 0.00 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2dkl s SER 3 Cb -0.14 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2dkl s SER 3 CO 0.02 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.59 2dkl n GLY 4 N 0.34 0.35 3.34 3.44 0.00 -1.26 -5.18 105.19 106.23 2dkl n GLY 4 Ca -0.18 0.50 -0.18 0.00 0.00 0.00 0.00 46.02 46.16 2dkl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkl s SER 5 N 2.00 1.61 -0.19 1.61 0.01 -1.26 -5.14 113.70 112.35 2dkl s SER 5 Ca 0.00 -1.33 -0.15 0.00 1.31 0.00 0.00 55.95 55.79 2dkl s SER 5 Cb 0.00 0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.25 2dkl s SER 5 CO 0.00 -0.64 0.34 -0.44 0.41 0.00 0.00 173.24 172.91 2dkl s SER 6 N -3.34 6.42 -0.30 2.44 0.01 -1.26 -5.03 113.70 112.63 2dkl s SER 6 Ca 0.34 0.49 -0.18 0.00 1.31 0.00 0.00 55.95 57.91 2dkl s SER 6 Cb 0.07 -2.20 0.19 0.00 0.21 0.00 0.00 66.02 64.28 2dkl s SER 6 CO 0.12 0.00 1.23 -0.83 0.41 0.00 0.00 173.24 174.17 2dkl s GLY 7 N 0.82 0.10 0.00 3.44 0.00 -1.26 -5.09 107.32 105.34 2dkl s GLY 7 Ca 0.17 3.41 0.00 0.00 0.00 0.00 0.00 44.72 48.30 2dkl s GLY 7 CO 0.06 3.56 0.00 0.61 0.00 0.00 0.00 173.10 177.33 2dkl n GLY 8 N 4.90 -1.45 3.61 0.20 0.00 -1.26 -5.12 105.19 106.07 2dkl n GLY 8 Ca -0.07 0.59 -0.43 0.00 0.00 0.00 0.00 46.02 46.10 2dkl n GLY 8 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dkl s MET 9 N 0.00 3.80 0.21 1.61 1.75 -1.26 -5.01 119.30 120.40 2dkl s MET 9 Ca 0.00 0.85 -0.22 0.00 -1.25 0.00 0.00 55.69 55.08 2dkl s MET 9 Cb 0.00 -3.89 -0.08 0.00 2.84 0.00 0.00 34.83 33.70 2dkl s MET 9 CO 0.00 -1.28 0.75 0.15 -0.65 0.00 0.00 175.02 174.00 2dkl s LYS 10 N 4.33 4.36 -0.14 4.11 1.02 -1.26 -5.06 119.74 127.10 2dkl s LYS 10 Ca 0.51 0.98 -0.10 0.00 0.02 0.00 0.00 55.97 57.38 2dkl s LYS 10 Cb -0.11 -2.99 -0.05 0.00 -0.52 0.00 0.00 37.83 34.17 2dkl s LYS 10 CO 0.27 0.44 0.20 -0.08 -0.92 0.00 0.00 175.35 175.26 2dkl s THR 11 N -1.42 5.38 0.21 2.17 -1.32 -1.26 -5.07 115.64 114.33 2dkl s THR 11 Ca 0.41 0.35 -0.30 0.00 -1.21 0.00 0.00 61.69 60.94 2dkl s THR 11 Cb -0.19 -3.51 -0.08 0.00 -1.51 0.00 0.00 72.50 67.21 2dkl s THR 11 CO 0.22 0.51 1.05 -0.55 -2.21 0.00 0.00 174.62 173.64 2dkl s SER 12 N -0.25 7.38 0.02 8.08 0.15 -1.26 -4.97 113.70 122.85 2dkl s SER 12 Ca 0.14 2.07 -0.17 0.00 0.70 0.00 0.00 55.95 58.69 2dkl s SER 12 Cb -0.12 -2.61 -0.32 0.00 -1.71 0.00 0.00 66.02 61.26 2dkl s SER 12 CO 0.03 -0.10 1.02 1.23 1.20 0.00 0.00 173.24 176.62 2dkl h GLY 13 N 4.62 0.58 -5.33 9.45 0.00 -2.06 -3.46 103.07 106.87 2dkl h GLY 13 Ca -0.45 -1.35 -0.20 0.00 0.00 0.00 0.00 47.33 45.33 2dkl h GLY 13 CO 0.70 1.18 -0.69 0.54 0.00 0.00 0.00 176.54 178.28 2dkl s LYS 14 N -2.73 0.13 -0.63 4.80 1.02 -1.26 -5.11 119.74 115.97 2dkl s LYS 14 Ca -0.10 -0.18 -0.22 0.00 0.02 0.00 0.00 55.97 55.49 2dkl s LYS 14 Cb 0.04 0.05 0.07 0.00 -0.52 0.00 0.00 37.83 37.47 2dkl s LYS 14 CO 0.91 -0.02 0.89 -0.65 -0.92 0.00 0.00 175.35 175.56 2dkl s GLN 15 N -0.49 3.12 -0.14 1.68 -1.52 -1.26 -5.00 119.66 116.04 2dkl s GLN 15 Ca -0.05 -0.88 -0.01 0.00 -1.95 0.00 0.00 55.36 52.46 2dkl s GLN 15 Cb -0.03 -4.21 0.04 0.00 -0.22 0.00 0.00 33.01 28.58 2dkl s GLN 15 CO -0.00 -1.70 -0.05 -0.51 -0.25 0.00 0.00 175.29 172.77 2dkl s ASP 16 N 3.55 2.55 0.50 5.90 1.11 -1.26 -5.00 116.67 124.03 2dkl s ASP 16 Ca 0.20 -0.52 0.37 0.00 0.18 0.00 0.00 52.55 52.78 2dkl s ASP 16 Cb -0.18 -0.84 1.52 0.00 1.07 0.00 0.00 42.92 44.49 2dkl s ASP 16 CO 0.10 -0.17 1.70 1.05 1.18 0.00 0.00 175.17 179.03 2dkl h GLU 17 N 8.16 0.07 0.03 8.23 9.09 -1.99 -0.58 114.58 137.59 2dkl h GLU 17 Ca -0.25 -0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.17 2dkl h GLU 17 Cb 1.12 -0.02 -0.05 0.00 -1.65 0.00 0.00 28.75 28.15 2dkl h GLU 17 CO 0.39 0.05 -0.53 0.00 0.05 0.00 0.00 179.01 178.96 2dkl h ALA 18 N 1.37 -0.95 -0.37 1.06 0.00 -2.00 0.28 119.26 118.64 2dkl h ALA 18 Ca 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.53 2dkl h ALA 18 Cb 2.65 0.94 -0.02 0.00 0.00 0.00 0.00 17.79 21.36 2dkl h ALA 18 CO -0.14 -1.11 0.17 0.11 0.00 0.00 0.00 179.25 178.28 2dkl h TRP 19 N -0.69 0.50 -0.32 0.00 5.08 -1.52 -2.60 115.95 116.39 2dkl h TRP 19 Ca 0.01 -0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 2dkl h TRP 19 Cb 0.73 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 26.72 2dkl h TRP 19 CO -0.50 0.38 0.12 0.82 -1.28 0.00 0.00 178.44 177.97 2dkl h ILE 20 N 0.51 1.19 -0.85 0.12 2.04 -0.99 -2.94 117.51 116.58 2dkl h ILE 20 Ca 0.13 -0.60 0.30 0.00 1.00 0.00 0.00 64.86 65.70 2dkl h ILE 20 Cb 0.06 0.98 -0.16 0.00 -0.74 0.00 0.00 36.82 36.97 2dkl h ILE 20 CO -0.02 0.21 0.25 0.80 0.00 0.00 0.00 178.15 179.39 2dkl n MET 21 N -4.70 -0.06 -0.03 2.37 1.56 0.86 0.13 117.12 117.25 2dkl n MET 21 Ca -0.02 1.23 -0.09 0.00 -0.27 0.00 0.00 57.70 58.55 2dkl n MET 21 Cb 0.15 -2.08 -0.03 0.00 2.15 0.00 0.00 33.22 33.40 2dkl n MET 21 CO 0.00 0.00 0.00 0.77 -0.73 0.00 0.00 175.97 176.01 2dkl h SER 22 N 0.00 -0.13 -0.84 6.12 0.02 -1.63 -2.75 113.55 114.33 2dkl h SER 22 Ca 0.63 0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.70 2dkl h SER 22 Cb 1.51 0.09 -0.10 0.00 0.14 0.00 0.00 62.40 64.04 2dkl h SER 22 CO -0.73 -0.04 -0.48 0.54 -1.14 0.00 0.00 176.83 174.98 2dkl n ARG 23 N -5.17 -0.35 -0.31 3.45 1.74 0.34 0.14 116.66 116.50 2dkl n ARG 23 Ca -0.03 1.26 0.01 0.00 -0.77 0.00 0.00 57.85 58.33 2dkl n ARG 23 Cb 0.11 -1.86 0.20 0.00 -1.02 0.00 0.00 32.46 29.89 2dkl n ARG 23 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2dkl h LEU 24 N 0.00 0.97 0.23 0.55 3.38 -1.55 -2.71 115.31 116.18 2dkl h LEU 24 Ca 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2dkl h LEU 24 Cb 0.36 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2dkl h LEU 24 CO -0.79 0.67 -0.11 0.40 0.09 0.00 0.00 178.44 178.70 2dkl h ILE 25 N 1.13 0.79 -0.82 1.22 1.08 0.15 -3.15 117.51 117.91 2dkl h ILE 25 Ca 0.36 -0.05 0.08 0.00 -0.39 0.00 0.00 64.86 64.85 2dkl h ILE 25 Cb 0.02 0.82 -0.10 0.00 -3.07 0.00 0.00 36.82 34.49 2dkl h ILE 25 CO -0.11 0.01 -0.54 0.50 -0.69 0.00 0.00 178.15 177.32 2dkl h LYS 26 N -0.33 -0.06 -1.00 2.37 3.64 -0.17 0.62 116.57 121.64 2dkl h LYS 26 Ca -0.03 0.00 0.39 0.00 -1.27 0.00 0.00 60.65 59.74 2dkl h LYS 26 Cb 0.25 0.01 -0.18 0.00 -0.41 0.00 0.00 32.23 31.91 2dkl h LYS 26 CO 0.05 -0.04 0.47 1.96 -2.27 0.00 0.00 179.45 179.62 2dkl h GLN 27 N -0.07 0.03 0.03 1.90 1.08 -1.52 0.17 115.11 116.74 2dkl h GLN 27 Ca 0.13 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2dkl h GLN 27 Cb 0.41 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 2dkl h GLN 27 CO -0.81 0.02 -0.02 -0.07 -0.95 0.00 0.00 178.83 177.00 2dkl h LEU 28 N 0.03 -0.04 -1.54 1.46 4.07 0.03 -3.11 115.31 116.22 2dkl h LEU 28 Ca 0.80 -0.67 0.15 0.00 0.08 0.00 0.00 57.88 58.24 2dkl h LEU 28 Cb 2.05 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 43.78 2dkl h LEU 28 CO -0.78 0.73 0.72 0.71 -1.08 0.00 0.00 178.44 178.74 2dkl h THR 29 N -0.88 0.17 0.02 0.22 1.35 0.22 1.03 112.91 115.05 2dkl h THR 29 Ca -0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.60 2dkl h THR 29 Cb 0.71 0.40 -0.03 0.00 -1.73 0.00 0.00 68.15 67.49 2dkl h THR 29 CO 0.01 0.00 -1.37 -0.78 -0.25 0.00 0.00 175.52 173.12 2dkl h ASP 30 N 0.00 0.08 0.34 5.36 3.58 -1.12 -3.39 116.42 121.28 2dkl h ASP 30 Ca 0.25 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 2dkl h ASP 30 Cb 1.68 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.71 2dkl h ASP 30 CO -0.00 1.10 -0.16 0.24 -2.88 0.00 0.00 179.24 177.53 2dkl h MET 31 N 0.01 -0.44 0.00 0.28 2.86 0.12 -3.40 114.93 114.36 2dkl h MET 31 Ca -0.16 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2dkl h MET 31 Cb 1.91 0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.67 2dkl h MET 31 CO 0.12 -0.30 0.00 0.41 1.06 0.00 0.00 176.91 178.20 2dkl n GLY 32 N -0.25 0.00 2.96 8.32 0.00 -0.96 -4.77 105.19 110.49 2dkl n GLY 32 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 2dkl n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dkl s PHE 33 N 0.00 0.34 0.71 1.61 0.08 -1.24 -4.98 117.98 114.51 2dkl s PHE 33 Ca 0.00 -0.23 -0.13 0.00 0.12 0.00 0.00 56.93 56.69 2dkl s PHE 33 Cb 0.00 -0.22 0.03 0.00 -0.57 0.00 0.00 43.02 42.26 2dkl s PHE 33 CO 0.00 -0.06 1.10 -1.25 -0.10 0.00 0.00 175.22 174.92 2dkl s PRO 34 N -0.65 2.54 0.40 0.24 0.04 -1.26 -3.83 135.00 132.48 2dkl s PRO 34 Ca -0.04 1.29 0.19 0.00 0.04 0.00 0.00 61.00 62.48 2dkl s PRO 34 Cb -0.05 -1.92 0.83 0.00 0.04 0.00 0.00 34.50 33.40 2dkl s PRO 34 CO -0.00 -1.44 1.81 0.07 0.04 0.00 0.00 177.00 177.48 2dkl h ARG 35 N -0.51 0.00 -0.25 4.56 0.11 -1.97 -3.05 114.38 113.26 2dkl h ARG 35 Ca -0.45 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.66 2dkl h ARG 35 Cb 1.24 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.28 2dkl h ARG 35 CO 0.53 0.33 -0.28 0.93 0.10 0.00 0.00 179.97 181.58 2dkl h GLU 36 N 0.00 -0.15 0.04 0.08 5.08 -2.00 -1.24 114.58 116.38 2dkl h GLU 36 Ca -0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2dkl h GLU 36 Cb 0.75 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2dkl h GLU 36 CO 0.04 -0.10 -0.02 -1.00 -1.00 0.00 0.00 179.01 176.93 2dkl h PRO 37 N -0.16 -0.06 -0.98 2.33 0.13 -1.97 -3.01 132.00 128.28 2dkl h PRO 37 Ca 0.04 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.46 2dkl h PRO 37 Cb 0.28 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.38 2dkl h PRO 37 CO -0.32 0.41 1.07 0.00 -0.23 0.00 0.00 178.00 178.93 2dkl h ALA 38 N 0.37 2.87 0.00 -0.56 0.00 -1.41 0.20 119.26 120.73 2dkl h ALA 38 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2dkl h ALA 38 Cb 0.49 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2dkl h ALA 38 CO 0.01 -1.58 -0.23 1.49 0.00 0.00 0.00 179.25 178.94 2dkl h GLU 39 N 0.00 0.00 -0.63 0.00 4.22 -1.14 -3.24 114.58 113.78 2dkl h GLU 39 Ca 0.47 0.00 0.12 0.00 0.08 0.00 0.00 59.36 60.03 2dkl h GLU 39 Cb 2.60 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 31.76 2dkl h GLU 39 CO -0.00 0.00 0.13 1.05 -2.18 0.00 0.00 179.01 178.00 2dkl h GLU 40 N -0.89 0.24 0.06 1.92 4.11 -0.97 -2.30 114.58 116.76 2dkl h GLU 40 Ca 0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 2dkl h GLU 40 Cb 0.23 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2dkl h GLU 40 CO 0.00 0.16 -0.09 0.00 0.07 0.00 0.00 179.01 179.15 2dkl h ALA 41 N 1.51 -0.75 -0.95 1.06 0.00 -0.87 -2.81 119.26 116.45 2dkl h ALA 41 Ca 0.34 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.34 2dkl h ALA 41 Cb 0.52 0.40 -0.14 0.00 0.00 0.00 0.00 17.79 18.58 2dkl h ALA 41 CO -0.44 -0.76 -0.46 1.28 0.00 0.00 0.00 179.25 178.87 2dkl n LEU 42 N -2.87 -0.80 -0.37 0.00 4.77 -1.10 0.13 117.00 116.77 2dkl n LEU 42 Ca -0.02 1.68 0.31 0.00 -0.03 0.00 0.00 56.01 57.95 2dkl n LEU 42 Cb 0.08 -0.31 0.58 0.00 -2.33 0.00 0.00 43.42 41.44 2dkl n LEU 42 CO 0.04 -1.44 1.14 0.11 -1.33 0.00 0.00 177.39 175.91 2dkl h LYS 43 N 0.00 0.13 0.00 3.23 1.79 -1.27 1.25 116.57 121.69 2dkl h LYS 43 Ca 0.25 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 2dkl h LYS 43 Cb 0.49 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2dkl h LYS 43 CO -0.92 0.08 -1.40 0.43 -1.08 0.00 0.00 179.45 176.56 2dkl n SER 44 N -4.99 0.51 -1.84 0.86 7.64 0.36 -4.03 113.62 112.13 2dkl n SER 44 Ca 0.36 0.19 -0.07 0.00 1.01 0.00 0.00 58.87 60.36 2dkl n SER 44 Cb 1.25 1.07 0.25 0.00 -1.01 0.00 0.00 64.21 65.76 2dkl n SER 44 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dkl n ASN 45 N -2.50 4.31 -4.14 6.43 3.02 0.40 -4.91 115.26 117.87 2dkl n ASN 45 Ca -0.02 -3.05 -0.28 0.00 -0.03 0.00 0.00 54.58 51.20 2dkl n ASN 45 Cb 0.56 -0.72 -0.06 0.00 -0.61 0.00 0.00 39.78 38.95 2dkl n ASN 45 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2dkl n ASN 46 N -0.16 0.25 -3.85 6.41 4.13 0.24 -0.83 115.26 121.46 2dkl n ASN 46 Ca 0.36 -1.14 -0.29 0.00 1.68 0.00 0.00 54.58 55.19 2dkl n ASN 46 Cb 1.26 -2.32 0.01 0.00 -1.54 0.00 0.00 39.78 37.18 2dkl n ASN 46 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2dkl n MET 47 N -4.49 -2.33 -4.86 3.52 2.81 -0.54 -4.96 117.12 106.28 2dkl n MET 47 Ca -0.31 0.41 -0.33 0.00 -1.81 0.00 0.00 57.70 55.66 2dkl n MET 47 Cb 0.69 -4.26 -0.15 0.00 -0.71 0.00 0.00 33.22 28.79 2dkl n MET 47 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2dkl s ASN 48 N -3.97 3.86 -0.09 7.83 -0.87 -0.01 -5.03 114.94 116.66 2dkl s ASN 48 Ca 0.22 -0.36 -0.14 0.00 -1.57 0.00 0.00 52.86 51.01 2dkl s ASN 48 Cb -0.08 -1.53 -0.11 0.00 -0.02 0.00 0.00 41.25 39.50 2dkl s ASN 48 CO 0.88 0.17 0.46 0.25 -2.57 0.00 0.00 177.10 176.30 2dkl h LEU 49 N 6.63 -0.09 -0.90 0.60 5.85 -1.93 -0.33 115.31 125.14 2dkl h LEU 49 Ca -0.26 -0.32 0.09 0.00 0.84 0.00 0.00 57.88 58.23 2dkl h LEU 49 Cb 1.21 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.19 2dkl h LEU 49 CO 0.54 0.53 0.54 0.44 -0.34 0.00 0.00 178.44 180.15 2dkl h ASP 50 N -0.98 0.81 -0.04 1.25 3.32 -1.98 0.14 116.42 118.93 2dkl h ASP 50 Ca -0.01 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 2dkl h ASP 50 Cb 0.41 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2dkl h ASP 50 CO 0.02 0.47 -0.21 1.56 -1.72 0.00 0.00 179.24 179.36 2dkl h GLN 51 N 0.92 0.22 -0.01 3.56 1.08 -1.93 -3.14 115.11 115.82 2dkl h GLN 51 Ca 0.42 -0.18 0.02 0.00 -1.45 0.00 0.00 58.65 57.47 2dkl h GLN 51 Cb 0.34 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.78 2dkl h GLN 51 CO -0.23 0.83 -0.15 0.00 -0.95 0.00 0.00 178.83 178.33 2dkl h ALA 52 N 0.39 -0.17 -0.23 3.87 0.00 -0.64 -1.76 119.26 120.72 2dkl h ALA 52 Ca -0.01 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2dkl h ALA 52 Cb 0.87 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 2dkl h ALA 52 CO 0.04 -0.64 -0.54 0.52 0.00 0.00 0.00 179.25 178.63 2dkl h MET 53 N -0.25 -0.50 -0.81 0.00 2.86 -0.84 -0.61 114.93 114.79 2dkl h MET 53 Ca 0.05 0.03 0.15 0.00 -2.06 0.00 0.00 59.70 57.88 2dkl h MET 53 Cb 0.31 0.11 -0.10 0.00 0.06 0.00 0.00 31.60 31.99 2dkl h MET 53 CO -0.15 -0.33 0.36 1.03 1.06 0.00 0.00 176.91 178.88 2dkl h SER 54 N -0.52 0.38 -0.53 1.22 0.87 -1.47 0.33 113.55 113.84 2dkl h SER 54 Ca 0.05 0.11 0.13 0.00 -1.23 0.00 0.00 61.79 60.85 2dkl h SER 54 Cb 0.65 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 2dkl h SER 54 CO -0.49 0.13 0.37 0.00 -0.53 0.00 0.00 176.83 176.31 2dkl h ALA 55 N 1.57 2.30 0.12 6.23 0.00 -0.22 0.11 119.26 129.37 2dkl h ALA 55 Ca 0.45 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 55.03 2dkl h ALA 55 Cb 0.70 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2dkl h ALA 55 CO -0.41 -0.44 -1.71 -0.07 0.00 0.00 0.00 179.25 176.63 2dkl h LEU 56 N 0.15 0.39 -1.83 0.00 3.38 0.24 -3.35 115.31 114.28 2dkl h LEU 56 Ca 0.25 -0.87 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 2dkl h LEU 56 Cb 0.80 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2dkl h LEU 56 CO -0.03 1.74 0.03 -0.07 0.09 0.00 0.00 178.44 180.20 2dkl h LEU 57 N -0.16 0.12 -1.98 1.67 3.38 0.02 -1.99 115.31 116.37 2dkl h LEU 57 Ca -0.37 -0.01 0.32 0.00 0.09 0.00 0.00 57.88 57.91 2dkl h LEU 57 Cb 1.88 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 42.55 2dkl h LEU 57 CO 0.06 0.12 0.81 1.05 0.09 0.00 0.00 178.44 180.56 2dkl h GLU 58 N 0.14 0.00 -1.35 1.13 -0.00 -0.95 0.27 114.58 113.82 2dkl h GLU 58 Ca 0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.26 2dkl h GLU 58 Cb 0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 28.72 2dkl h GLU 58 CO -0.00 0.00 0.18 1.63 -0.00 0.00 0.00 179.01 180.81 2dkl n LYS 59 N -4.16 1.34 -3.92 1.06 4.76 -0.75 -4.81 118.16 111.68 2dkl n LYS 59 Ca 0.23 -0.73 -0.34 0.00 -2.87 0.00 0.00 58.31 54.61 2dkl n LYS 59 Cb 1.17 -1.29 -0.06 0.00 -1.84 0.00 0.00 35.03 33.01 2dkl n LYS 59 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2dkl n LYS 60 N 0.49 -0.87 -2.24 1.97 3.00 0.94 -4.78 118.16 116.68 2dkl n LYS 60 Ca 0.14 0.11 -0.43 0.00 -0.00 0.00 0.00 58.31 58.13 2dkl n LYS 60 Cb 0.67 -3.91 -0.02 0.00 0.00 0.00 0.00 35.03 31.77 2dkl n LYS 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2dkl s VAL 61 N -2.79 3.91 0.82 3.15 0.11 -1.22 -4.98 120.40 119.38 2dkl s VAL 61 Ca 0.66 1.04 -0.14 0.00 -2.93 0.00 0.00 61.98 60.61 2dkl s VAL 61 Cb -0.38 -3.85 0.04 0.00 -1.53 0.00 0.00 36.38 30.65 2dkl s VAL 61 CO 0.80 -0.29 0.84 0.47 -3.33 0.00 0.00 175.10 173.59 2dkl n ASP 62 N 7.76 -0.28 -3.67 3.54 8.00 -1.26 -4.91 116.55 125.73 2dkl n ASP 62 Ca 0.17 0.53 -0.16 0.00 0.71 0.00 0.00 54.79 56.04 2dkl n ASP 62 Cb 0.45 -1.36 -0.15 0.00 -0.02 0.00 0.00 41.12 40.04 2dkl n ASP 62 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2dkl s VAL 63 N -2.13 -0.29 1.00 2.53 1.01 -1.26 -5.03 120.40 116.22 2dkl s VAL 63 Ca 0.67 0.32 -0.15 0.00 0.00 0.00 0.00 61.98 62.83 2dkl s VAL 63 Cb -0.29 -0.34 0.13 0.00 0.00 0.00 0.00 36.38 35.88 2dkl s VAL 63 CO 0.57 0.14 0.12 -0.90 0.00 0.00 0.00 175.10 175.02 2dkl n ASP 64 N 5.27 -2.85 0.09 3.32 5.75 -1.26 -4.91 116.55 121.96 2dkl n ASP 64 Ca -0.06 -0.30 -0.18 0.00 -0.01 0.00 0.00 54.79 54.24 2dkl n ASP 64 Cb 0.50 -0.77 -0.11 0.00 -1.03 0.00 0.00 41.12 39.71 2dkl n ASP 64 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 2dkl h LYS 65 N -2.44 0.45 -6.56 0.11 1.63 -2.01 -3.44 116.57 104.30 2dkl h LYS 65 Ca -0.29 -0.61 -0.52 0.00 -0.85 0.00 0.00 60.65 58.38 2dkl h LYS 65 Cb 0.87 0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.68 2dkl h LYS 65 CO 0.19 1.25 0.35 1.03 -3.45 0.00 0.00 179.45 178.82 2dkl s ARG 66 N -2.94 4.69 0.00 1.90 0.52 -1.26 -5.05 118.95 116.82 2dkl s ARG 66 Ca -0.07 1.43 0.00 0.00 -0.52 0.00 0.00 55.73 56.57 2dkl s ARG 66 Cb 0.07 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 32.17 2dkl s ARG 66 CO 0.90 0.24 0.00 0.41 0.02 0.00 0.00 175.30 176.87 2dkl n GLY 67 N 2.21 1.53 3.72 -3.53 0.00 -1.26 -4.93 105.19 102.92 2dkl n GLY 67 Ca 0.02 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.69 2dkl n GLY 67 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2dkl s LEU 68 N 0.00 3.64 0.35 0.99 0.05 -1.26 -4.57 118.68 117.88 2dkl s LEU 68 Ca 0.00 -0.00 -0.00 0.00 0.05 0.00 0.00 54.13 54.18 2dkl s LEU 68 Cb 0.00 -2.18 -0.00 0.00 -2.05 0.00 0.00 46.19 41.96 2dkl s LEU 68 CO 0.00 0.25 0.45 -0.83 -0.55 0.00 0.00 176.35 175.67 2dkl s GLY 69 N -1.84 1.69 -0.50 -3.48 0.00 -1.26 -5.07 107.32 96.85 2dkl s GLY 69 Ca 0.23 -1.64 -0.17 0.00 0.00 0.00 0.00 44.72 43.14 2dkl s GLY 69 CO 0.14 -1.09 0.48 0.14 0.00 0.00 0.00 173.10 172.78 2dkl s VAL 70 N -3.02 5.13 0.04 1.40 1.01 -1.26 -5.03 120.40 118.67 2dkl s VAL 70 Ca 0.32 -1.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 2dkl s VAL 70 Cb -0.00 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.16 2dkl s VAL 70 CO 0.22 -0.72 0.24 -0.89 0.00 0.00 0.00 175.10 173.95 2dkl s THR 71 N 1.91 0.10 -0.17 3.92 2.01 -1.26 -5.14 115.64 117.01 2dkl s THR 71 Ca 0.07 -0.81 -0.20 0.00 0.31 0.00 0.00 61.69 61.06 2dkl s THR 71 Cb -0.24 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 2dkl s THR 71 CO 0.07 -0.45 0.57 -1.81 -0.69 0.00 0.00 174.62 172.31 2dkl s ASP 72 N -2.08 6.67 0.06 3.53 1.11 -1.26 -4.99 116.67 119.71 2dkl s ASP 72 Ca -0.05 0.81 -0.36 0.00 0.18 0.00 0.00 52.55 53.13 2dkl s ASP 72 Cb -0.01 -2.32 -0.20 0.00 1.07 0.00 0.00 42.92 41.45 2dkl s ASP 72 CO -0.04 -0.17 1.57 -0.74 1.18 0.00 0.00 175.17 176.98 2dkl h HIS 73 N 7.24 -1.15 -0.84 4.23 -0.00 -2.03 -3.33 115.15 119.28 2dkl h HIS 73 Ca -0.35 -0.03 -0.62 0.00 -0.00 0.00 0.00 60.37 59.37 2dkl h HIS 73 Cb 1.16 0.38 -0.08 0.00 -0.00 0.00 0.00 27.41 28.87 2dkl h HIS 73 CO 0.68 -0.71 1.95 1.21 -0.00 0.00 0.00 177.93 181.06 2dkl s ASN 74 N -4.11 6.54 -0.74 3.26 3.84 -1.26 -4.85 114.94 117.62 2dkl s ASN 74 Ca -0.19 -2.19 -0.07 0.00 0.21 0.00 0.00 52.86 50.62 2dkl s ASN 74 Cb 0.02 -2.58 -0.16 0.00 -0.55 0.00 0.00 41.25 37.99 2dkl s ASN 74 CO 0.60 -1.48 2.99 0.61 -2.79 0.00 0.00 177.10 177.03 2dkl n GLY 75 N 5.67 3.37 2.90 1.21 0.00 -1.25 -4.66 105.19 112.43 2dkl n GLY 75 Ca 0.46 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 2dkl n GLY 75 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dkl s MET 76 N 1.88 0.37 -1.11 1.61 -1.94 -1.26 -5.07 119.30 113.78 2dkl s MET 76 Ca 0.61 0.32 -0.24 0.00 -1.71 0.00 0.00 55.69 54.67 2dkl s MET 76 Cb 0.22 -0.44 -0.10 0.00 2.01 0.00 0.00 34.83 36.52 2dkl s MET 76 CO -0.03 -0.83 1.97 0.00 -0.01 0.00 0.00 175.02 176.13 2dkl s ALA 77 N 2.53 1.60 -0.22 3.03 0.00 -1.26 -4.87 121.76 122.57 2dkl s ALA 77 Ca 0.11 -1.93 0.01 0.00 0.00 0.00 0.00 51.96 50.15 2dkl s ALA 77 Cb -0.14 -4.66 0.05 0.00 0.00 0.00 0.00 23.12 18.37 2dkl s ALA 77 CO -0.23 -5.36 -0.11 0.00 0.00 0.00 0.00 175.76 170.06 2dkl s ALA 78 N 11.62 2.17 0.54 0.00 0.00 -1.26 -5.12 121.76 129.70 2dkl s ALA 78 Ca 0.71 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 51.32 2dkl s ALA 78 Cb -0.03 -1.36 0.03 0.00 0.00 0.00 0.00 23.12 21.77 2dkl s ALA 78 CO 0.11 -0.90 0.76 -1.59 0.00 0.00 0.00 175.76 174.15 2dkl s LYS 79 N 1.31 2.59 -0.28 0.00 0.00 -1.26 -5.12 119.74 116.99 2dkl s LYS 79 Ca -0.03 -0.77 -0.10 0.00 0.00 0.00 0.00 55.97 55.07 2dkl s LYS 79 Cb -0.17 -2.50 0.12 0.00 0.00 0.00 0.00 37.83 35.28 2dkl s LYS 79 CO -0.08 -0.67 0.60 -1.54 0.00 0.00 0.00 175.35 173.66 2dkl s SER 80 N -4.41 -0.94 -0.85 0.03 1.04 -1.26 -5.00 113.70 102.31 2dkl s SER 80 Ca 0.57 1.44 -0.04 0.00 0.48 0.00 0.00 55.95 58.40 2dkl s SER 80 Cb -0.10 2.05 -0.00 0.00 0.10 0.00 0.00 66.02 68.06 2dkl s SER 80 CO 0.38 -0.22 0.69 0.61 0.98 0.00 0.00 173.24 175.68 2dkl n GLY 81 N 5.37 -1.22 0.00 7.32 0.00 -1.26 -4.82 105.19 110.58 2dkl n GLY 81 Ca -0.12 0.52 0.07 0.00 0.00 0.00 0.00 46.02 46.49 2dkl n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dkl n PRO 82 N -2.51 0.49 -3.00 1.61 -0.04 -1.26 -4.83 135.00 125.46 2dkl n PRO 82 Ca -0.12 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.18 2dkl n PRO 82 Cb 0.58 -1.46 0.04 0.00 -0.04 0.00 0.00 33.50 32.62 2dkl n PRO 82 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dkl n SER 83 N -0.96 -4.76 -4.30 3.54 2.88 -1.26 -5.00 113.62 103.76 2dkl n SER 83 Ca 0.11 -0.28 -0.37 0.00 -1.33 0.00 0.00 58.87 57.01 2dkl n SER 83 Cb 0.05 -3.49 -0.13 0.00 -0.75 0.00 0.00 64.21 59.89 2dkl n SER 83 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dkl s SER 84 N -3.01 4.95 0.00 -3.46 0.01 -1.26 -5.31 113.70 105.61 2dkl s SER 84 Ca 0.30 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2dkl s SER 84 Cb -0.13 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.28 2dkl s SER 84 CO 0.37 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.44